(1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone

C13H22N2O2 — CID 165450806

IUPAC(1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone
SMILESCC1(C(=O)N2CC(OC3CCNCC3)C2)CC1
InChIInChI=1S/C13H22N2O2/c1-13(4-5-13)12(16)15-8-11(9-15)17-10-2-6-14-7-3-10/h10-11,14H,2-9H2,1H3
InChIKeyJNRRHVUJZGJQOU-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.77
Rot. Bonds3

About (1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone

(1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone (PubChem CID 165450806) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone
PubChem CID165450806
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone
SMILESCC1(C(=O)N2CC(OC3CCNCC3)C2)CC1
InChIInChI=1S/C13H22N2O2/c1-13(4-5-13)12(16)15-8-11(9-15)17-10-2-6-14-7-3-10/h10-11,14H,2-9H2,1H3
InChIKeyJNRRHVUJZGJQOU-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121475
N-butyl-3-piperidin-4-yloxyazetidine-1-carboxamide
CID 165450809
[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 107217447
4-piperidin-4-yloxypiperidine-1-carboxylic acid
CID 69156881
(1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 166001479
4-(4-piperidin-4-yloxycyclohexyl)oxypiperidine
CID 165136805
methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate
CID 63121313
(4-methylpiperidin-4-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103840374
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride
CID 119635654
(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 79180510
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119788100
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpiperidin-3-yl)methanone
CID 119945501

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone?
The IUPAC name of (1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone (CID 165450806) is (1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone.
What is the SMILES notation for (1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone?
The canonical SMILES for (1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone is CC1(C(=O)N2CC(OC3CCNCC3)C2)CC1.
What is the InChIKey of (1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone?
The InChIKey is JNRRHVUJZGJQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(4-5-13)12(16)15-8-11(9-15)17-10-2-6-14-7-3-10/h10-11,14H,2-9H2,1H3.
What are the key properties of (1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone?
(1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone is sourced from PubChem (CID 165450806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).